CDPL::Chem::SubstructureHistogramCalculator Class Reference

SubstructureHistogramCalculator. More...

#include <SubstructureHistogramCalculator.hpp>

Classes
class	Pattern

Public Types
typedef std::shared_ptr< SubstructureHistogramCalculator >	SharedPointer
typedef PatternList::const_iterator	ConstPatternIterator
typedef PatternList::iterator	PatternIterator

Public Member Functions
	SubstructureHistogramCalculator ()
	SubstructureHistogramCalculator (const SubstructureHistogramCalculator &gen)
void	addPattern (const MolecularGraph::SharedPointer &structure, std::size_t id, std::size_t priority=0, bool all_matches=true, bool unique_matches=true)
void	addPattern (const Pattern &ptn)
const Pattern &	getPattern (std::size_t idx) const
void	removePattern (std::size_t idx)
void	removePattern (const PatternIterator &ptn_it)
void	clear ()
std::size_t	getNumPatterns () const
ConstPatternIterator	getPatternsBegin () const
ConstPatternIterator	getPatternsEnd () const
PatternIterator	getPatternsBegin ()
PatternIterator	getPatternsEnd ()
ConstPatternIterator	begin () const
ConstPatternIterator	end () const
PatternIterator	begin ()
PatternIterator	end ()
template<typename T >
void	calculate (const MolecularGraph &molgraph, T &histo)
SubstructureHistogramCalculator &	operator= (const SubstructureHistogramCalculator &gen)

Detailed Description

SubstructureHistogramCalculator.

Member Typedef Documentation

SharedPointer

typedef std::shared_ptr<SubstructureHistogramCalculator> CDPL::Chem::SubstructureHistogramCalculator::SharedPointer

ConstPatternIterator

typedef PatternList::const_iterator CDPL::Chem::SubstructureHistogramCalculator::ConstPatternIterator

PatternIterator

typedef PatternList::iterator CDPL::Chem::SubstructureHistogramCalculator::PatternIterator

Constructor & Destructor Documentation

SubstructureHistogramCalculator() [1/2]

CDPL::Chem::SubstructureHistogramCalculator::SubstructureHistogramCalculator

(

)

SubstructureHistogramCalculator() [2/2]

CDPL::Chem::SubstructureHistogramCalculator::SubstructureHistogramCalculator

(

const SubstructureHistogramCalculator &

gen

)

Member Function Documentation

addPattern() [1/2]

void CDPL::Chem::SubstructureHistogramCalculator::addPattern	(	const MolecularGraph::SharedPointer &	structure,
		std::size_t	id,
		std::size_t	priority = 0,
		bool	all_matches = true,
		bool	unique_matches = true
	)

addPattern() [2/2]

void CDPL::Chem::SubstructureHistogramCalculator::addPattern

(

const Pattern &

ptn

)

getPattern()

const Pattern& CDPL::Chem::SubstructureHistogramCalculator::getPattern

(

std::size_t

idx

)

const

removePattern() [1/2]

void CDPL::Chem::SubstructureHistogramCalculator::removePattern

(

std::size_t

idx

)

removePattern() [2/2]

void CDPL::Chem::SubstructureHistogramCalculator::removePattern

(

const PatternIterator &

ptn_it

)

clear()

void CDPL::Chem::SubstructureHistogramCalculator::clear

(

)

getNumPatterns()

std::size_t CDPL::Chem::SubstructureHistogramCalculator::getNumPatterns

(

)

const

getPatternsBegin() [1/2]

ConstPatternIterator CDPL::Chem::SubstructureHistogramCalculator::getPatternsBegin

(

)

const

getPatternsEnd() [1/2]

ConstPatternIterator CDPL::Chem::SubstructureHistogramCalculator::getPatternsEnd

(

)

const

getPatternsBegin() [2/2]

PatternIterator CDPL::Chem::SubstructureHistogramCalculator::getPatternsBegin

(

)

getPatternsEnd() [2/2]

PatternIterator CDPL::Chem::SubstructureHistogramCalculator::getPatternsEnd

(

)

begin() [1/2]

ConstPatternIterator CDPL::Chem::SubstructureHistogramCalculator::begin

(

)

const

end() [1/2]

ConstPatternIterator CDPL::Chem::SubstructureHistogramCalculator::end

(

)

const

begin() [2/2]

PatternIterator CDPL::Chem::SubstructureHistogramCalculator::begin

(

)

end() [2/2]

PatternIterator CDPL::Chem::SubstructureHistogramCalculator::end

(

)

calculate()

template<typename T >

void CDPL::Chem::SubstructureHistogramCalculator::calculate	(	const MolecularGraph &	molgraph,
		T &	histo
	)

operator=()

SubstructureHistogramCalculator& CDPL::Chem::SubstructureHistogramCalculator::operator=

(

const SubstructureHistogramCalculator &

gen

)

---

The documentation for this class was generated from the following file:

• SubstructureHistogramCalculator.hpp